ChemSpider 2D Image | 4-Oxo-4-{[2,5,7,8-tetramethyl-2-(4,4,8,8,12-pentamethyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy}butanoic acid | C35H58O5

4-Oxo-4-{[2,5,7,8-tetramethyl-2-(4,4,8,8,12-pentamethyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy}butanoic acid

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID5474

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Oxo-4-{[2,5,7,8-tetramethyl-2-(4,4,8,8,12-pentamethyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy}butanoic acid [ACD/IUPAC Name]
4-Oxo-4-{[2,5,7,8-tetramethyl-2-(4,4,8,8,12-pentamethyltridecyl)-3,4-dihydro-2H-chromen-6-yl]oxy}butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-{[2,5,7,8-tétraméthyl-2-(4,4,8,8,12-pentaméthyltridécyl)-3,4-dihydro-2H-chromén-6-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,4,8,8,12-pentamethyltridecyl)-2H-1-benzopyran-6-yl] ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 639.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 187.5±25.0 °C
Index of Refraction: 1.498
Molar Refractivity: 164.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 12.58
ACD/LogD (pH 5.5): 9.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1468206.50
ACD/LogD (pH 7.4): 8.00
ACD/BCF (pH 7.4): 136647.59
ACD/KOC (pH 7.4): 23646.58
Polar Surface Area: 73 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 562.0±3.0 cm3

Click to predict properties on the Chemicalize site


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